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azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)

UUID 83ecd6f9-9097-4a14-975f-49992bae6a50
Flow Object IDfo-e7277d8cb0e14399
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 111687-36-6
EC Numbers 400-660-3
prefLabel
Language Value Provenance
en azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)
altLabel
Language Value Provenance
en 1,3-Diaminopropanetetraacetic acid iron(III) ammonium salt
en Ammonium (1,3-diaminopropanetetraacetato)iron(III)
en Ammonium 1,3-propylenediaminetetraacetatoferrate
en Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)glycinato]](4-)-<em>N</em>,<em>N</em>′,<em>O</em>,<em>O</em>′,<em>O</em><sup>N</sup>,<em>O</em><sup>N′</sup>]-, ammonium, (<em>OC</em>-6-21)-
en Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium (1:1), (<em>OC</em>-6-21)-
en Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium, (<em>OC</em>-6-21)-
en Glycine, <em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)-, iron complex
References
Shared Properties
Predicate Value
InChIKey APFKNMHFZHKCAD-UHFFFAOYSA-K, HXPRIPOCSQBZIN-UHFFFAOYSA-K, KDPZUMITOBOWKM-UHFFFAOYSA-K
InChI InChI=1S/C11H18N2O8.Fe.H3N/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21;;/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;1H3/q;+3;/p-3, InChI=1S/C11H18N2O8.K.H3N/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21;;/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21);;1H3/q;+1;/p-3, InChI=1S/C8H12N2O8.Fe.H3N/c11-5(12)4-9(6(13)14)2-1-3-10(7(15)16)8(17)18;;/h1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;1H3/q;+5;/p-3
IUPAC name ammonium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+), ammonium;2-[carboxylato-[3-(dicarboxylatoamino)propyl]amino]acetate;iron(5+), ammonium;ferric;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate, ammonium;potassium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate, azanium;2-[3-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]propyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate;iron(3+), azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+), azanium;2-[carboxylato-[3-(dicarboxylatoamino)propyl]amino]acetate;iron(5+), azanium;2-[carboxylato-[3-(dicarboxylatoamino)propyl]amino]ethanoate;iron(5+), azanium;potassium;2-[3-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]propyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate, azanium;potassium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate
Molecular formula C11H18FeN3O8, C11H18KN3O8-2, C8H12FeN3O8+2
SMILES C(CN(CC(=O)[O-])C(=O)[O-])CN(C(=O)[O-])C(=O)[O-].[NH4+].[Fe+5], C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[Fe+3], C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[K+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 83ecd6f9-9097-4a14-975f-49992bae6a50 1,3-propylenediamine-n,n,n',n'-tetraacetic acid ammonium iron(+3) salt[dutch c.a.: ferrate (1-), [(n,n'-1,3-propanediylbis-(n- (carboxymethyl)glycinato)) (4-)-n,n',o,o',on,on')-ammonium]

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,3-propylenediamine-n,n,n',n'-tetraacetic acid ammonium iron(+3) salt[dutch c.a.: ferrate (1-), [(n,n'-1,3-propanediylbis-(n- (carboxymethyl)glycinato)) (4-)-n,n',o,o',on,on')-ammonium] Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 consensus_match group_key=1,3-propylenediamine-n,n,n',n'-tetraaceticacidammoniumiron(+3)salt[dutchc.a.:ferrate(1-),[(n,n'-1,3-propanediylbis-(n-(carboxymethyl)glycinato))(4-)-n,n',o,o',on,on')-ammonium]||dimension=Environmental > media=Ground > geography=Agricultural; cas=111687-36-6; added Common Chemistry CAS names as altLabel: 1,3-Diaminopropanetetraacetic acid iron(III) ammonium salt, Ammonium (1,3-diaminopropanetetraacetato)iron(III), Ammonium 1,3-propylenediaminetetraacetatoferrate, Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)glycinato]](4-)-<em>N</em>,<em>N</em>′,<em>O</em>,<em>O</em>′,<em>O</em><sup>N</sup>,<em>O</em><sup>N′</sup>]-, ammonium, (<em>OC</em>-6-21)-, Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium (1:1), (<em>OC</em>-6-21)-, Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium, (<em>OC</em>-6-21)-, Glycine, <em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)-, iron complex; object_uuid=fo-e7277d8cb0e14399
cas_match_labels 1 consensus_match group_key=1,3-propylenediamine-n,n,n',n'-tetraaceticacidammoniumiron(+3)salt[dutchc.a.:ferrate(1-),[(n,n'-1,3-propanediylbis-(n-(carboxymethyl)glycinato))(4-)-n,n',o,o',on,on')-ammonium]||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'111687-36-6': []}; assigned CAS labels from group consensus; object_uuid=fo-e7277d8cb0e14399: {'111687-36-6': 'exactMatch'}
prefLabel 1 consensus_match group_key=1,3-propylenediamine-n,n,n',n'-tetraaceticacidammoniumiron(+3)salt[dutchc.a.:ferrate(1-),[(n,n'-1,3-propanediylbis-(n-(carboxymethyl)glycinato))(4-)-n,n',o,o',on,on')-ammonium]||dimension=Environmental > media=Ground > geography=Agricultural; cas=111687-36-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1173; pubchem_entropy=4.0381; current_score=5.3873; pubchem_score=4.7781; score_improvement=0.6092; threshold=0.400; min_margin=0.400; object_uuid=fo-e7277d8cb0e14399

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': "1,3-propylenediamine-n,n,n',n'-tetraacetic Acid Ammonium Iron(+3) Salt[dutch C.a.: Ferrate (1-), [(n,n'-1,3-propanediylbis-(n- (carboxymethyl)glycinato)) (4-)-n,n',o,o',on,on')-ammonium]", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111687-36-6', 'name:azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)', 'https://pubchem.ncbi.nlm.nih.gov/compound/159534'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=1,3-propylenediamine-n,n,n',n'-tetraaceticacidammoniumiron(+3)salt[dutchc.a.:ferrate(1-),[(n,n'-1,3-propanediylbis-(n-(carboxymethyl)glycinato))(4-)-n,n',o,o',on,on')-ammonium]||dimension=Environmental > media=Ground > geography=Agricultural; cas=111687-36-6; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1173; pubchem_entropy=4.0381; current_score=5.3873; pubchem_score=4.7781; score_improvement=0.6092; threshold=0.400; min_margin=0.400; object_uuid=fo-e7277d8cb0e14399
altLabel None [{'@value': "1,3-propylenediamine-n,n,n',n'-tetraacetic Acid Ammonium Iron(+3) Salt[dutch C.a.: Ferrate (1-), [(n,n'-1,3-propanediylbis-(n- (carboxymethyl)glycinato)) (4-)-n,n',o,o',on,on')-ammonium]", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=1,3-propylenediamine-n,n,n',n'-tetraaceticacidammoniumiron(+3)salt[dutchc.a.:ferrate(1-),[(n,n'-1,3-propanediylbis-(n-(carboxymethyl)glycinato))(4-)-n,n',o,o',on,on')-ammonium]||dimension=Environmental > media=Ground > geography=Agricultural; cas=111687-36-6; added current EF name as altLabel when prefLabel differs; object_uuid=fo-e7277d8cb0e14399
altLabel [{'@value': "1,3-propylenediamine-n,n,n',n'-tetraacetic Acid Ammonium Iron(+3) Salt[dutch C.a.: Ferrate (1-), [(n,n'-1,3-propanediylbis-(n- (carboxymethyl)glycinato)) (4-)-n,n',o,o',on,on')-ammonium]", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': '1,3-Diaminopropanetetraacetic acid iron(III) ammonium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111687-36-6', 'https://commonchemistry.cas.org/detail?cas_rn=111687-36-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonium (1,3-diaminopropanetetraacetato)iron(III)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111687-36-6', 'https://commonchemistry.cas.org/detail?cas_rn=111687-36-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonium 1,3-propylenediaminetetraacetatoferrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111687-36-6', 'https://commonchemistry.cas.org/detail?cas_rn=111687-36-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)glycinato]](4-)-<em>N</em>,<em>N</em>′,<em>O</em>,<em>O</em>′,<em>O</em><sup>N</sup>,<em>O</em><sup>N′</sup>]-, ammonium, (<em>OC</em>-6-21)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111687-36-6', 'https://commonchemistry.cas.org/detail?cas_rn=111687-36-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium (1:1), (<em>OC</em>-6-21)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111687-36-6', 'https://commonchemistry.cas.org/detail?cas_rn=111687-36-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium, (<em>OC</em>-6-21)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111687-36-6', 'https://commonchemistry.cas.org/detail?cas_rn=111687-36-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Glycine, <em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)-, iron complex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:111687-36-6', 'https://commonchemistry.cas.org/detail?cas_rn=111687-36-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,3-propylenediamine-n,n,n',n'-tetraaceticacidammoniumiron(+3)salt[dutchc.a.:ferrate(1-),[(n,n'-1,3-propanediylbis-(n-(carboxymethyl)glycinato))(4-)-n,n',o,o',on,on')-ammonium]||dimension=Environmental > media=Ground > geography=Agricultural; cas=111687-36-6; added Common Chemistry CAS names as altLabel: 1,3-Diaminopropanetetraacetic acid iron(III) ammonium salt, Ammonium (1,3-diaminopropanetetraacetato)iron(III), Ammonium 1,3-propylenediaminetetraacetatoferrate, Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)glycinato]](4-)-<em>N</em>,<em>N</em>′,<em>O</em>,<em>O</em>′,<em>O</em><sup>N</sup>,<em>O</em><sup>N′</sup>]-, ammonium, (<em>OC</em>-6-21)-, Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium (1:1), (<em>OC</em>-6-21)-, Ferrate(1-), [[<em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-[(carboxy-κ<em>O</em>)methyl]glycinato-κ<em>N</em>,κ<em>O</em>]](4-)]-, ammonium, (<em>OC</em>-6-21)-, Glycine, <em>N</em>,<em>N</em>′-1,3-propanediylbis[<em>N</em>-(carboxymethyl)-, iron complex; object_uuid=fo-e7277d8cb0e14399
cas_match_labels None {'111687-36-6': 'exactMatch'} group_key=1,3-propylenediamine-n,n,n',n'-tetraaceticacidammoniumiron(+3)salt[dutchc.a.:ferrate(1-),[(n,n'-1,3-propanediylbis-(n-(carboxymethyl)glycinato))(4-)-n,n',o,o',on,on')-ammonium]||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'111687-36-6': []}; assigned CAS labels from group consensus; object_uuid=fo-e7277d8cb0e14399: {'111687-36-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "83ecd6f9-9097-4a14-975f-49992bae6a50",
  "name": null,
  "cas_numbers": [
    "111687-36-6"
  ],
  "ec_numbers": [
    "400-660-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 22.139
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.9661e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.9661e-7
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 22.139
    }
  ],
  "source": "EF 3.1",
  "identifier": "83ecd6f9-9097-4a14-975f-49992bae6a50",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "83ecd6f9-9097-4a14-975f-49992bae6a50",
      "source_flow_name": "1,3-propylenediamine-n,n,n',n'-tetraacetic acid ammonium iron(+3) salt[dutch c.a.: ferrate (1-), [(n,n'-1,3-propanediylbis-(n- (carboxymethyl)glycinato)) (4-)-n,n',o,o',on,on')-ammonium]",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:111687-36-6",
          "name:azanium;2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;iron(3+)",
          "https://pubchem.ncbi.nlm.nih.gov/compound/159534"
        ],
        "prov:wasDerivedFrom": "pubchem preferred label selection"
      }
    }
  ],
  "_sources": {
    "prefLabel": "consensus_match",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H18FeN3O8",
        "C11H18KN3O8-2",
        "C8H12FeN3O8+2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "APFKNMHFZHKCAD-UHFFFAOYSA-K",
        "HXPRIPOCSQBZIN-UHFFFAOYSA-K",
        "KDPZUMITOBOWKM-UHFFFAOYSA-K"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(CN(CC(=O)[O-])C(=O)[O-])CN(C(=O)[O-])C(=O)[O-].[NH4+].[Fe+5]",
        "C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[Fe+3]",
        "C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[NH4+].[K+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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